N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

C15H18N4O4S — CID 109159530

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C15H18N4O4S/c1-10-7-14(18-23-10)17-13-4-3-11(8-16-13)15(20)19(2)12-5-6-24(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyHFDXXXNTBUTAQJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.38
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109159530) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
PubChem CID109159530
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1
InChIInChI=1S/C15H18N4O4S/c1-10-7-14(18-23-10)17-13-4-3-11(8-16-13)15(20)19(2)12-5-6-24(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyHFDXXXNTBUTAQJ-UHFFFAOYSA-N
XLogP1.38
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285387
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109159498
6-(3-chloro-4-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109159507
N-(1,1-dioxothiolan-3-yl)-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159513
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109159471
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
CID 47460685
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157844
2-N-(1,1-dioxothiolan-3-yl)-2-N,6-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112922084
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide (CID 109159530) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)cn2)no1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is HFDXXXNTBUTAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-7-14(18-23-10)17-13-4-3-11(8-16-13)15(20)19(2)12-5-6-24(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109159530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).